SCHEMBL28040545

SCHEMBL28040545

OCC1=CC(CO)(c2ccccc2)C(O)C=C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
IDH1 O75874 1/20 0.36
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28040037 0.71 GAA (0.37) GAATSHRMAPTRAB9ASMN1; SMN2
SCHEMBL10785676 0.61 GAA (0.37) GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20211715 0.58 HSD11B1 (0.36) GAAMAPTRAB9ASMN1; SMN2
SCHEMBL16937436 0.57 LMNA (0.32)
SCHEMBL1371770 0.56 MAOA (0.60) GAAMAPTRAB9ASMN1; SMN2
Benzyl Alcohol SCHEMBL27874031 0.56
SCHEMBL5373534 0.54 MAOA (0.45) GAAMAPTRAB9ASMN1; SMN2
SCHEMBL1152119 0.54 DPP4 (0.63) SMN1; SMN2
SCHEMBL1561557 0.54 MAOA (0.45) GAATSHRMAPTRAB9ASMN1; SMN2
SCHEMBL7333210 0.54 DPP4 (0.57) SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175663-A Method for producing crude phenol modified phenolic resin foam HUNAN ZHONGYE HIGH TECH SPECIAL MATERIALS CO LTD 2015-12-23 CN claimed
CN-105175663-A Method for producing crude phenol modified phenolic resin foam HUNAN ZHONGYE HIGH TECH SPECIAL MATERIALS CO LTD 2015-12-23 CN disclosed